E793-3714 Screening compound: 4-({2-[({[2-(4-chlorophenyl)ethyl]carbamoyl}methyl)sulfanyl]-4-oxo-3H,4H-thieno[3,2-d]pyrimidin-3-yl}methyl)cyclohexane-1-carboxylic acid

E793-3714 Screening compound: 4-({2-[({[2-(4-chlorophenyl)ethyl]carbamoyl}methyl)sulfanyl]-4-oxo-3H,4H-thieno[3,2-d]pyrimidin-3-yl}methyl)cyclohexane-1-carboxylic acid
E793-3714 Screening compound: 4-({2-[({[2-(4-chlorophenyl)ethyl]carbamoyl}methyl)sulfanyl]-4-oxo-3H,4H-thieno[3,2-d]pyrimidin-3-yl}methyl)cyclohexane-1-carboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound E793-3714
4-({2-[({[2-(4-chlorophenyl)ethyl]carbamoyl}methyl)sulfanyl]-4-oxo-3H,4H-thieno[3,2-d]pyrimidin-3-yl}methyl)cyclohexane-1-carboxylic acid

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

E793-3714

Molecular Formula

C24H26ClN3O4S2 (C24 H26 ClN3 O4 S2)

Compound Name

4-({2-[({[2-(4-chlorophenyl)ethyl]carbamoyl}methyl)sulfanyl]-4-oxo-3H,4H-thieno[3,2-d]pyrimidin-3-yl}methyl)cyclohexane-1-carboxylic acid

IUPAC name

4-({2-[({[2-(4-chlorophenyl)ethyl]carbamoyl}methyl)sulfanyl]-4-oxo-3H4H-thieno[32-d]pyrimidin-3-yl}methyl)cyclohexane-1-carboxylic acid

SMILES

OC(C1CCC(CN(C2=O)C(SCC(NCCc(cc3)ccc3Cl)=O)=Nc3c2scc3)CC1)=O

InChI

InChI=1S/C24H26ClN3O4S2/c25-18-7-3-15(4-8-18)9-11-26-20(29)14-34-24-27-19-10-12-33-21(19)22(30)28(24)13-16-1-5-17(6-2-16)23(31)32/h3-4,7-8,10,12,16-17H,1-2,5-6,9,11,13-14H2,(H,26,29)(H,31,32)

InChI Key

YGXCVIBDXZBUIN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14919892

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

520.07

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.680

Distribution Coefficient, logD

1.119

Water Solubility, LogSw

-4.05

Polar Surface Area

79.703

Acid Dissociation Constant (pKa)

4.84

Base Dissociation Constant (pKb)

-0.87

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

41.70

E793-3714 in Drug Discovery

Included in Screening Libraries

3CLpro Library (4801 compounds)

3D-Biodiversity Library (27607 compounds)

3D-Pharmacophore Based Diversity Library (49813 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

CORONAVIRUS Library (20774 compounds)

Dark Chemical Matter Library (18430 compounds)

MCL1 Targeted Library (12200 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
Structure:
  • 3D
  • Pool

References: we are preparing a list of scientific research reports with E793-3714 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E793-3714?
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What is the minimum amount of E793-3714 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E793-3714
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E793-3714
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of E793-3714 available by request